CID 4197

Milrinone

Structural Information

Molecular Formula
C12H9N3O
SMILES
CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
InChI
InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
InChIKey
PZRHRDRVRGEVNW-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2135
References

27476
Patents

211.07455 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 148.3
[M+Na]+ 234.06377 163.0
[M+NH4]+ 229.10837 152.5
[M+K]+ 250.03771 152.9
[M-H]- 210.06727 143.9
[M+Na-2H]- 232.04922 154.4
[M]+ 211.07400 148.4
[M]- 211.07510 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe